A2546/0108384
TL;DR: A2546/0108384 (CAS 347355-98-0) is a chemical compound with molecular formula C27H32N4O6S and molecular weight 540.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-benzylsulfonylpiperazin-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitroaniline
Also Known As: A2546/0108384, 5-(4-benzylsulfonylpiperazin-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitroaniline, 4-(3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4-nitrophenyl)-1-[benzylsulfonyl]pi perazine, 5-(4-(benzylsulfonyl)piperazin-1-yl)-N-(3,4-dimethoxyphenethyl)-2-nitroaniline, 5-[4-(benzylsulfonyl)piperazin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitroaniline
| Molecular Formula | C27H32N4O6S |
|---|---|
| Molecular Weight | 540.20 g/mol |
| LogP | 3.9186 |
| Topological Polar Surface Area | 114.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 540.2043 |
| Heavy Atoms | 38 |
| Complexity | 1359.2357 |
Chemical Identifiers
| CAS Number | 347355-98-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNC2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4)[N+](=O)[O-])OC |
Product Overview
A2546/0108384 (CAS 347355-98-0), with molecular formula C27H32N4O6S and molecular weight 540.20 g/mol. IUPAC: 5-(4-benzylsulfonylpiperazin-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitroaniline.
Chemical Property Profile of A2546/0108384
Property Insights of A2546/0108384
The XLogP value of 3.9186 indicates that A2546/0108384 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.25 Ų falls within the moderate polarity range, balancing permeability and solubility for A2546/0108384. Following Lipinski's Rule of Five, A2546/0108384 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A2546/0108384?
The CAS number of A2546/0108384 is 347355-98-0.
What is the molecular formula of A2546/0108384?
The molecular formula of A2546/0108384 is C27H32N4O6S.
What is the molecular weight of A2546/0108384?
The molecular weight of A2546/0108384 is 540.20 g/mol.
Where can I buy A2546/0108384?
You can request a quote for A2546/0108384 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2546/0108384?
Yes, KEHONG BIO provides custom synthesis services for A2546/0108384 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.